3-methyl-6-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propane-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propane-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propane-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | E975-1148 |
| Compound Name: | 3-methyl-6-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propane-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(N1CCC(=CC1)c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2807 |
| logD: | 2.2807 |
| logSw: | -2.9711 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.99 |
| InChI Key: | ZWBCRMIYXFEMLL-UHFFFAOYSA-N |